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CHEBI:150289 - N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:150289
ChEBI NameN-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H35NO14
Net Charge0
Average Mass513.493
Monoisotopic Mass513.20575
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)C[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1d21m-1a_1-5]/1-2-3/a4-b1_b2-c1
InChIInChI=1S/C20H35NO14/c1-6-8(25)3-9(26)19(31-6)35-17-15(29)13(27)10(4-22)33-20(17)34-16-11(5-23)32-18(30)12(14(16)28)21-7(2)24/h6,8-20,22-23,25-30H,3-5H2,1-2H3,(H,21,24)/t6-,8-,9-,10+,11+,12+,13-,14+,15-,16+,17+,18?,19-,20-/m0/s1
InChIKeyJDEHIWMBUQYCJX-YUNPFAOVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-Dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150289) is a amino sugar (CHEBI:28963)
Synonyms  Source
Col(a1-2)Gal(b1-4)GlcNAcSUBMITTER
3,6-dideoxy-alpha-L-xylo-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G41029UXGlyTouCan
G41029UXGlyGen